{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=3529","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=3527","results":[{"id":"jvasp-30351","created_at":"2022-09-04T14:36:40.249643Z","updated_at":"2022-09-04T14:36:40.249661Z","structure_string":"Ti1 Mn5 O12\n1.0\n2.423885 4.210393 0.459609\n-2.454592 4.215986 0.229804\n0.416125 0.722827 9.105253\nTi Mn O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.145070 0.709862 0.499999 Mn\n0.666729 0.666542 -0.000000 Mn\n0.333271 0.333459 -0.000000 Mn\n0.854929 0.290140 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.038058 0.351983 0.889888 O\n0.313927 0.000000 0.110266 O\n0.609959 0.351983 0.110112 O\n0.801921 0.658926 0.601340 O\n0.125768 0.000001 0.625942 O\n0.198078 0.341076 0.398659 O\n0.539154 0.658925 0.398659 O\n0.686071 0.000002 0.889734 O\n0.390040 0.648019 0.889888 O\n-0.038058 0.648018 0.110111 O\n0.460845 0.341077 0.601340 O\n0.874230 0.000001 0.374058 O\n","nsites":18,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.60544022817352,"density_atomic":0.09702126977010933,"volume":185.52632884161144,"volume_molar":6.207031483167955,"formula_full":"Ti1 Mn5 O12","formula_reduced":"TiMn5O12","formula_anonymous":"AB5C12","energy_above_hull":3.673375363346104,"spacegroup":12},{"id":"jvasp-42411","created_at":"2022-09-04T14:38:15.045599Z","updated_at":"2022-09-04T14:38:15.045626Z","structure_string":"Ti6 Mn2 O16\n1.0\n2.963552 -5.133022 -0.000000\n2.963552 5.133022 -0.000000\n-0.000000 -0.000000 8.753147\nTi Mn O\n6 2 16\ndirect\n0.166609 0.833391 0.793762 Ti\n0.666781 0.833390 0.793762 Ti\n0.166609 0.333219 0.793762 Ti\n0.833390 0.666781 0.293762 Ti\n0.333219 0.166609 0.293762 Ti\n0.833391 0.166609 0.293762 Ti\n0.333333 0.666667 0.516936 Mn\n0.666667 0.333333 0.016936 Mn\n0.348500 0.174250 0.895630 O\n0.666667 0.333333 0.406560 O\n0.946772 0.473386 0.155018 O\n0.526614 0.473386 0.155018 O\n0.174250 0.348500 0.395630 O\n0.825749 0.651499 0.895630 O\n0.473386 0.526614 0.655018 O\n0.000000 0.000000 0.685408 O\n0.651499 0.825749 0.395630 O\n0.000000 0.000000 0.185408 O\n0.526614 0.053228 0.155018 O\n0.333333 0.666667 0.906560 O\n0.473386 0.946772 0.655018 O\n0.174250 0.825749 0.395630 O\n0.053228 0.526614 0.655018 O\n0.825749 0.174250 0.895630 O\n","nsites":24,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.072189052515183,"density_atomic":0.09012210900226601,"volume":266.30535243462344,"volume_molar":6.682201322927962,"formula_full":"Ti6 Mn2 O16","formula_reduced":"Ti3MnO8","formula_anonymous":"AB3C8","energy_above_hull":3.3264800201149427,"spacegroup":186},{"id":"jvasp-12235","created_at":"2022-09-04T14:38:10.946285Z","updated_at":"2022-09-04T14:38:10.946305Z","structure_string":"Ti2 Mn2 O6\n1.0\n4.600812 0.021729 3.041703\n1.646598 4.296121 3.041703\n0.031439 0.021729 5.515291\nTi Mn O\n2 2 6\ndirect\n0.499670 0.499670 0.499669 Ti\n-0.000330 -0.000330 -0.000330 Ti\n0.780329 0.780329 0.780327 Mn\n0.280329 0.280329 0.280328 Mn\n0.611187 0.218517 0.856656 O\n0.218517 0.856657 0.611186 O\n0.856657 0.611187 0.218516 O\n0.356657 0.718517 0.111186 O\n0.111187 0.356657 0.718516 O\n0.718517 0.111187 0.356656 O\n","nsites":10,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.628226087398838,"density_atomic":0.09241123749376803,"volume":108.21194771549698,"volume_molar":6.516675810564832,"formula_full":"Ti2 Mn2 O6","formula_reduced":"TiMnO3","formula_anonymous":"ABC3","energy_above_hull":2.7498672149425283,"spacegroup":161},{"id":"jvasp-85817","created_at":"2022-09-04T14:36:03.427448Z","updated_at":"2022-09-04T14:36:03.427464Z","structure_string":"Ti2 Mn2 O6\n1.0\n6.557426 2.191146 7.716611\n-0.971520 2.097064 2.269127\n-4.381289 -4.441730 -2.393624\nTi Mn O\n2 2 6\ndirect\n0.256677 0.295238 0.680233 Ti\n0.743324 0.704762 0.319767 Ti\n0.772476 0.727307 0.885968 Mn\n0.227525 0.272693 0.114033 Mn\n0.206903 0.610282 0.420619 O\n0.421893 0.925856 0.058720 O\n0.897149 0.354877 0.200556 O\n0.793098 0.389719 0.579382 O\n0.578108 0.074144 0.941281 O\n0.102852 0.645124 0.799445 O\n","nsites":10,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.532613828927082,"density_atomic":0.09050215894874936,"volume":110.494601633348,"volume_molar":6.654140442561475,"formula_full":"Ti2 Mn2 O6","formula_reduced":"TiMnO3","formula_anonymous":"ABC3","energy_above_hull":2.7728612149425285,"spacegroup":12},{"id":"jvasp-57382","created_at":"2022-09-04T14:37:01.936273Z","updated_at":"2022-09-04T14:37:01.936309Z","structure_string":"Ti4 Mn4 O12\n1.0\n5.163134 0.000000 0.000000\n0.000000 5.346492 0.000000\n0.000000 0.000000 7.531980\nTi Mn O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.009597 0.950930 0.750000 Mn\n0.990403 0.049069 0.250000 Mn\n0.509596 0.549069 0.250000 Mn\n0.490403 0.450930 0.750000 Mn\n0.381388 0.948969 0.250000 O\n0.118611 0.448969 0.250000 O\n0.618611 0.051031 0.750000 O\n0.683671 0.311168 0.062249 O\n0.881388 0.551031 0.750000 O\n0.316328 0.688832 0.937751 O\n0.816327 0.811167 0.437751 O\n0.183672 0.188832 0.937751 O\n0.683671 0.311168 0.437751 O\n0.816327 0.811167 0.062249 O\n0.183672 0.188832 0.562249 O\n0.316328 0.688832 0.562249 O\n","nsites":20,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.817572949383365,"density_atomic":0.0961919036715057,"volume":207.91770654939717,"volume_molar":6.260548476684218,"formula_full":"Ti4 Mn4 O12","formula_reduced":"TiMnO3","formula_anonymous":"ABC3","energy_above_hull":2.7537832149425285,"spacegroup":62},{"id":"jvasp-119260","created_at":"2022-09-04T14:38:28.602372Z","updated_at":"2022-09-04T14:38:28.602391Z","structure_string":"Ti8 Mn4 O16\n1.0\n5.789204 -0.001064 1.741586\n3.157638 5.155304 -0.000176\n0.006886 -0.003913 10.470993\nTi Mn O\n8 4 16\ndirect\n0.499997 0.500001 0.000004 Ti\n0.500003 -0.000001 0.499996 Ti\n0.500026 0.249959 0.250005 Ti\n0.499974 0.750042 0.749994 Ti\n0.500026 0.750012 0.250006 Ti\n0.499973 0.249989 0.749994 Ti\n0.999982 0.750007 0.250004 Ti\n0.000019 0.249993 0.749996 Ti\n0.875014 0.812495 0.937470 Mn\n0.124987 0.187505 0.062527 Mn\n0.874981 0.312508 0.437526 Mn\n0.125017 0.687494 0.562475 Mn\n0.740062 0.610151 0.870039 O\n0.740096 0.110155 0.370051 O\n0.259897 0.350256 0.629951 O\n0.259925 0.850220 0.129967 O\n0.740073 0.149785 0.870033 O\n0.740106 0.649741 0.370048 O\n0.279747 0.610134 0.870047 O\n0.740069 0.379962 0.639885 O\n0.259868 0.120075 0.860157 O\n0.259931 0.620039 0.360114 O\n0.259907 0.889847 0.629947 O\n0.259935 0.389848 0.129961 O\n0.720257 0.389865 0.129954 O\n0.740131 0.879927 0.139843 O\n0.279704 0.110152 0.370056 O\n0.720293 0.889850 0.629943 O\n","nsites":28,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.563369854943133,"density_atomic":0.08961154676122786,"volume":312.4597332819919,"volume_molar":6.720273198772186,"formula_full":"Ti8 Mn4 O16","formula_reduced":"Ti2MnO4","formula_anonymous":"AB2C4","energy_above_hull":3.128223986863711,"spacegroup":227},{"id":"jvasp-111910","created_at":"2022-09-04T14:38:48.413470Z","updated_at":"2022-09-04T14:38:48.413481Z","structure_string":"Ti4 Mn8 O16\n1.0\n6.154108 -0.000022 0.000083\n-0.000049 6.153975 0.000078\n0.000097 0.000093 8.603594\nTi Mn O\n4 8 16\ndirect\n0.500001 0.244704 0.000003 Ti\n0.755298 0.500000 0.749998 Ti\n0.244705 0.500001 0.249999 Ti\n0.500000 0.755296 0.499999 Ti\n0.748612 0.748597 0.124996 Mn\n0.251396 0.748612 0.874999 Mn\n0.251398 0.251382 0.625001 Mn\n0.748599 0.251409 0.375002 Mn\n0.250242 0.000002 0.250001 Mn\n0.749757 -0.000003 0.750000 Mn\n0.000003 0.250243 0.000001 Mn\n-0.000002 0.749757 0.499998 Mn\n0.266949 0.485580 0.018546 O\n0.733053 0.514428 0.518546 O\n0.733059 0.485577 0.981450 O\n0.266939 0.514417 0.481453 O\n0.485583 0.733063 0.268545 O\n0.514419 0.266944 0.768549 O\n0.968724 0.732499 0.750979 O\n0.968724 0.267515 0.749017 O\n0.732498 0.968723 0.499015 O\n0.732484 0.031278 0.000985 O\n0.267515 0.968718 0.500981 O\n0.031279 0.732483 0.249015 O\n0.485578 0.266949 0.231455 O\n0.267501 0.031280 0.999021 O\n0.031278 0.267503 0.250984 O\n0.514421 0.733050 0.731452 O\n","nsites":28,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.520159235693993,"density_atomic":0.08593246746485353,"volume":325.837262981562,"volume_molar":7.0079923661717975,"formula_full":"Ti4 Mn8 O16","formula_reduced":"TiMn2O4","formula_anonymous":"AB2C4","energy_above_hull":3.259430973727422,"spacegroup":95},{"id":"jvasp-112831","created_at":"2022-09-04T14:38:43.655941Z","updated_at":"2022-09-04T14:38:43.655965Z","structure_string":"Ti1 Mn3 O8\n1.0\n4.872974 -0.127417 2.701160\n1.532426 4.627503 2.701160\n-0.181365 -0.127417 5.568594\nTi Mn O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.499999 0.000000 Mn\n0.499999 -0.000001 0.500000 Mn\n0.000000 0.499999 0.500000 Mn\n0.738175 0.738174 0.738175 O\n0.242735 0.242735 0.730236 O\n0.242736 0.730235 0.242735 O\n0.261825 0.261825 0.261825 O\n0.730235 0.242735 0.242736 O\n0.757265 0.757264 0.269765 O\n0.757264 0.269763 0.757265 O\n0.269764 0.757263 0.757265 O\n","nsites":12,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.347020152483428,"density_atomic":0.092210809725396,"volume":130.1365863257901,"volume_molar":6.5308403406649935,"formula_full":"Ti1 Mn3 O8","formula_reduced":"TiMn3O8","formula_anonymous":"AB3C8","energy_above_hull":3.4700548381226053,"spacegroup":166},{"id":"jvasp-115240","created_at":"2022-09-04T14:38:45.527418Z","updated_at":"2022-09-04T14:38:45.527432Z","structure_string":"Ti1 Mn1 O4\n1.0\n-1.877932 1.877932 4.699906\n1.877932 -1.877932 4.699906\n1.877932 1.877932 -4.699906\nTi Mn O\n1 1 4\ndirect\n0.749999 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.962156 0.462158 0.499999 O\n0.798460 0.798460 0.000000 O\n0.537841 0.037842 0.499999 O\n0.201540 0.201540 0.000000 O\n","nsites":6,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.1777566808459365,"density_atomic":0.09049870450835733,"volume":66.29929160417888,"volume_molar":6.654394438810857,"formula_full":"Ti1 Mn1 O4","formula_reduced":"TiMnO4","formula_anonymous":"ABC4","energy_above_hull":2.859351595785441,"spacegroup":119},{"id":"jvasp-43226","created_at":"2022-09-04T14:35:56.025266Z","updated_at":"2022-09-04T14:35:56.025296Z","structure_string":"Ti1 Mn1 O4\n1.0\n5.401709 0.243803 0.000000\n2.583268 4.750224 0.000000\n-3.992489 -2.497014 2.657604\nTi Mn O\n1 1 4\ndirect\n0.750000 0.249999 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.537900 0.037900 0.499999 O\n0.201271 0.201270 -0.000000 O\n0.962100 0.462099 0.499999 O\n0.798731 0.798728 -0.000000 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Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.125000 0.125000 0.125000 Mn\n0.875000 0.874999 0.875001 Mn\n0.740018 0.740018 0.279945 O\n0.259981 0.259981 0.259982 O\n0.259981 0.259981 0.720056 O\n0.279944 0.740018 0.740019 O\n0.740018 0.279944 0.740018 O\n0.259981 0.720056 0.259982 O\n0.740018 0.740018 0.740019 O\n0.720056 0.259981 0.259982 O\n","nsites":14,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.543101580332654,"density_atomic":0.08921353575274935,"volume":156.9268596057023,"volume_molar":6.750254554073553,"formula_full":"Ti4 Mn2 O8","formula_reduced":"Ti2MnO4","formula_anonymous":"AB2C4","energy_above_hull":3.1293082725779966,"spacegroup":227}]}